Molecule FYI-1002190

A

Molecule Summary:

ID: FYI-1002190
Names:
InChIKey: DFACZAKUBFFRFB-UHFFFAOYSA-N
SMILES: O=C2c1ccccc1C(=O)C26C(c3ccccc3)C(N(=O)=O)C(c4ccccc4)C5CCCCC56O

Received at FYIcenter.com on: 2023-02-05

Molecule ID: FYI-1002190 Edit

Molecule Structure InChIKey: DFACZAKUBFFRFB-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C2c1ccccc1C(=O)C26C(c3ccccc3)C(N(=O)=O)C(c4ccccc4)C5CCCCC56O

Download SDF Download SVG Structure in 2D SDF:

FYI-1002190
FYIcenter.com

 37 42  0  0  0  0  0  0  0  0999 V2000
    6.7406    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7406    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5282    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3157    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3157    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5282    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5282    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3157    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3157    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5282    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7406    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7406    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1033    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1033    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3157    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.1694    5.5923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.1000    4.6710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0368    3.6306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    7.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    5.8834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.3779    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1655    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9531    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1655    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.7406    1.4000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5367    6.8412    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8517    2.8853    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  6  7  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
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 11 12  1  0  0  0  0
  7 12  1  0  0  0  0
  7  8  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 10 16  1  0  0  0  0
  9 13  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
  8 20  1  0  0  0  0
  8 17  1  0  0  0  0
 21 22  1  0  0  0  0
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 23 24  1  0  0  0  0
 19 24  2  0  0  0  0
 18 21  2  0  0  0  0
 11 25  1  0  0  0  0
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 29 30  2  0  0  0  0
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 12 31  1  0  0  0  0
 31 32  2  0  0  0  0
 31 33  2  0  0  0  0
  9 34  1  0  0  0  0
 10 35  1  0  0  0  0
 17 36  2  0  0  0  0
 20 37  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002190-3D
FYIcenter.com

 63 68  0  0  1  0  0  0  0  0999 V2000
    1.0556    0.5632    0.6002 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2500    0.3518    0.5041 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2154    1.3744    0.1356 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9532    2.7204   -0.0205 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0060    3.5226   -0.4359 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2698    2.9604   -0.7075 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.4614    0.8072   -0.0905 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3960   -0.6314    0.2103 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3381   -1.3971    0.1022 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9714   -0.9886    0.6607 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2929   -1.9844   -0.4099 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.2498   -1.6089   -1.9145 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7421   -2.5307   -2.8673 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8297   -2.2065   -4.2271 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4122   -0.9591   -4.6731 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8467   -0.0685   -3.7693 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7443   -0.4015   -2.4129 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0964   -2.8346    0.1086 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.2730   -2.1377   -0.0477 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5975   -1.7694   -1.1814 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0357   -2.1041    0.9288 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.5427   -2.2441    4.5983 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.0697   -2.7354   -0.5073 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2 11  1  0  0  0  0
  3  4  1  0  0  0  0
  3  8  2  0  0  0  0
  4  5  2  0  0  0  0
  4 37  1  0  0  0  0
  5  6  1  0  0  0  0
  5 38  1  0  0  0  0
  6  7  2  0  0  0  0
  6 39  1  0  0  0  0
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 32 33  1  0  0  0  0
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 35 36  1  0  0  0  0
 36 63  1  0  0  0  0
M  END
$$$$

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2023-02-28, 1646👍, 0💬